5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N,N-diethylfuran-2-carboxamide

C22H31N3O3 — CID 7364523

IUPAC5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N,N-diethylfuran-2-carboxamide
SMILESCCCN(Cc1cccn1Cc1ccc(C(=O)N(CC)CC)o1)C(=O)C1CC1
InChIInChI=1S/C22H31N3O3/c1-4-13-25(21(26)17-9-10-17)15-18-8-7-14-24(18)16-19-11-12-20(28-19)22(27)23(5-2)6-3/h7-8,11-12,14,17H,4-6,9-10,13,15-16H2,1-3H3
InChIKeyGVQVHEAJJVJFOY-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.76
Rot. Bonds10

About 5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N,N-diethylfuran-2-carboxamide

5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N,N-diethylfuran-2-carboxamide (PubChem CID 7364523) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N,N-diethylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N,N-diethylfuran-2-carboxamide
PubChem CID7364523
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N,N-diethylfuran-2-carboxamide
SMILESCCCN(Cc1cccn1Cc1ccc(C(=O)N(CC)CC)o1)C(=O)C1CC1
InChIInChI=1S/C22H31N3O3/c1-4-13-25(21(26)17-9-10-17)15-18-8-7-14-24(18)16-19-11-12-20(28-19)22(27)23(5-2)6-3/h7-8,11-12,14,17H,4-6,9-10,13,15-16H2,1-3H3
InChIKeyGVQVHEAJJVJFOY-UHFFFAOYSA-N
XLogP3.76
TPSA58.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N,N-diethylfuran-2-carboxamide with MolForge

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Related Compounds

N-[[1-[[5-(piperidine-1-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylcyclopropanecarboxamide
CID 7265120
5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(4-methylphenyl)furan-2-carboxamide
CID 7495607
5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(3-methoxypropyl)furan-2-carboxamide
CID 7418269
5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
CID 42666179
5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 42787248
5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 42787232
N-[[1-[[5-[4-(3-chlorophenyl)piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylcyclopentanecarboxamide
CID 42666140
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-propylcyclopropanecarboxamide
CID 42764244
N-[[1-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylpropanamide
CID 42787068
2-chloro-N-[[1-[[5-(4-methylpiperidine-1-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylbenzamide
CID 42666160
4-methyl-N-propyl-N-[[1-[[5-(pyrrolidine-1-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]benzamide
CID 42787126
1-[5-[[2-[[(4-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]furan-2-carbonyl]piperidine-4-carboxamide
CID 42787098

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N,N-diethylfuran-2-carboxamide?
The IUPAC name of 5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N,N-diethylfuran-2-carboxamide (CID 7364523) is 5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N,N-diethylfuran-2-carboxamide.
What is the SMILES notation for 5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N,N-diethylfuran-2-carboxamide?
The canonical SMILES for 5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N,N-diethylfuran-2-carboxamide is CCCN(Cc1cccn1Cc1ccc(C(=O)N(CC)CC)o1)C(=O)C1CC1.
What is the InChIKey of 5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N,N-diethylfuran-2-carboxamide?
The InChIKey is GVQVHEAJJVJFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-4-13-25(21(26)17-9-10-17)15-18-8-7-14-24(18)16-19-11-12-20(28-19)22(27)23(5-2)6-3/h7-8,11-12,14,17H,4-6,9-10,13,15-16H2,1-3H3.
What are the key properties of 5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N,N-diethylfuran-2-carboxamide?
5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N,N-diethylfuran-2-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 3.76, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N,N-diethylfuran-2-carboxamide is sourced from PubChem (CID 7364523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).